Geometry & MOs

Info

ID:	311798
PubChem CID:	126597718
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	410.186652
ΔH_f, kcal/mol:	13.98
Dipole, Da:	6.21
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-3,3-dimethylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NC=CC4=C3NC=C4

DOS

IR

Vibrations